General Information of the Compound
| Compound ID |
CP0396555
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| Compound Name |
N-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
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| Structure |
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| Formula |
C21H29N3O
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| Molecular Weight |
339.483
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| Canonical SMILES |
Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCn2cccc2C1
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| InChI |
InChI=1S/C21H29N3O/c1-15-11-18(24-10-9-23-8-6-7-17(23)14-24)12-16(2)20(15)22-19(25)13-21(3,4)5/h6-8,11-12H,9-10,13-14H2,1-5H3,(H,22,25)
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| InChIKey |
DTBCGYKPZMEEKN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound